CID 10558984

87012-20-2

Structural Information

Molecular Formula
C9H11NS
SMILES
CC1CSC2=CC=CC=C2N1
InChI
InChI=1S/C9H11NS/c1-7-6-11-9-5-3-2-4-8(9)10-7/h2-5,7,10H,6H2,1H3
InChIKey
OFUZAVQYAIEYET-UHFFFAOYSA-N
Compound name
3-methyl-3,4-dihydro-2H-1,4-benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

165.06122 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06850 130.7
[M+Na]+ 188.05044 138.5
[M-H]- 164.05394 132.4
[M+NH4]+ 183.09504 151.2
[M+K]+ 204.02438 134.5
[M+H-H2O]+ 148.05848 125.1
[M+HCOO]- 210.05942 144.5
[M+CH3COO]- 224.07507 143.3
[M+Na-2H]- 186.03589 136.1
[M]+ 165.06067 128.1
[M]- 165.06177 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.